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CHEBI:208372 - Chrysogenolide A

Default Structure
ChEBI IDCHEBI:208372
ChEBI NameChrysogenolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O9
Net Charge0
Average Mass470.474
Monoisotopic Mass470.15768
SMILESC[C@H]1OC(=O)[C@@]23[C@@H]4[C@H]5OC(=O)[C@]4(C)C[C@@H]4[C@]2(C)[C@H](C=C2C(=CC(=O)OC2(C)C)[C@@]42CO2)O[C@@]13O5
InChIInChI=1S/C25H26O9/c1-10-25-24(19(28)30-10)16-17(34-25)31-18(27)21(16,4)8-13-22(24,5)14(32-25)6-11-12(23(13)9-29-23)7-15(26)33-20(11,2)3/h6-7,10,13-14,16-17H,8-9H2,1-5H3/t10-,13-,14+,16-,17+,21-,22-,23+,24+,25-/m1/s1
InChIKeyAJSIPKNZSKQGBQ-QLEHVBHISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28960979)
ChEBI Ontology
Outgoing Relation(s)
Chrysogenolide A (CHEBI:208372) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1S,2S,3S,11R,12R,14R,17R,19S,20R,23R)-2,6,6,14,20-pentamethylspiro[7,16,18,21,24-pentaoxaheptacyclo[12.8.1.13,19.01,19.02,12.05,10.017,23]tetracosa-4,9-diene-11,2'-oxirane]-8,15,22-trione
Manual XrefsDatabases
90635109ChemSpider